A1B13
Summary
| Name: | (3S)-1-[(2S)-2-(thiophen-2-yl)propanoyl]piperidine-3-carboxamide |
| Formula: | C13 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 266.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2S)-2-(thiophen-2-yl)propanoyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2~{R})-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C(C)c1cccs1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O2S/c1-9(11-5-3-7-18-11)13(17)15-6-2-4-10(8-15)12(14)16/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,14,16)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | JQNFTWVJWFLFOK-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | C[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](c1cccs1)C(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1cccs1)C(=O)N2CCCC(C2)C(=O)N |
